N-ethyl-N-propylpropanimidamide

C8H18N2 — CID 63175707

IUPACN-ethyl-N-propylpropanimidamide
SMILES[H]/N=C(\CC)N(CC)CCC
InChIInChI=1S/C8H18N2/c1-4-7-10(6-3)8(9)5-2/h9H,4-7H2,1-3H3/b9-8+
InChIKeyAIGMTWSRIRNWPH-CMDGGOBGSA-N
MW142.25 g/mol
LogP2.11
Rot. Bonds4

About N-ethyl-N-propylpropanimidamide

N-ethyl-N-propylpropanimidamide (PubChem CID 63175707) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is N-ethyl-N-propylpropanimidamide.

Molecular Properties

Compound NameN-ethyl-N-propylpropanimidamide
PubChem CID63175707
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC NameN-ethyl-N-propylpropanimidamide
SMILES[H]/N=C(\CC)N(CC)CCC
InChIInChI=1S/C8H18N2/c1-4-7-10(6-3)8(9)5-2/h9H,4-7H2,1-3H3/b9-8+
InChIKeyAIGMTWSRIRNWPH-CMDGGOBGSA-N
XLogP2.11
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-propylpropanimidamide?
The IUPAC name of N-ethyl-N-propylpropanimidamide (CID 63175707) is N-ethyl-N-propylpropanimidamide.
What is the SMILES notation for N-ethyl-N-propylpropanimidamide?
The canonical SMILES for N-ethyl-N-propylpropanimidamide is [H]/N=C(\CC)N(CC)CCC.
What is the InChIKey of N-ethyl-N-propylpropanimidamide?
The InChIKey is AIGMTWSRIRNWPH-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H18N2/c1-4-7-10(6-3)8(9)5-2/h9H,4-7H2,1-3H3/b9-8+.
What are the key properties of N-ethyl-N-propylpropanimidamide?
N-ethyl-N-propylpropanimidamide has a molecular weight of 142.25 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-propylpropanimidamide is sourced from PubChem (CID 63175707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).